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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=948",
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"results": [
{
"id": "jvasp-20382",
"created_at": "2022-09-04T14:37:33.776412Z",
"updated_at": "2022-09-04T14:37:33.776439Z",
"structure_string": "Sr2 Be26\n1.0\n6.368834 -0.000000 3.677048\n2.122945 6.004595 3.677048\n-0.000000 -0.000000 7.354097\nSr Be\n2 26\ndirect\n0.749999 0.749999 0.750001 Sr\n0.250000 0.250000 0.250000 Sr\n0.934400 0.285290 0.714711 Be\n0.714710 0.065599 0.934402 Be\n0.065599 0.714710 0.285291 Be\n0.214710 0.434400 0.565600 Be\n0.434400 0.565599 0.214711 Be\n0.565599 0.214710 0.434401 Be\n0.214710 0.565599 0.785291 Be\n0.214710 0.785289 0.434402 Be\n0.785289 0.565599 0.434402 Be\n0.285289 0.714710 0.934402 Be\n0.285290 0.065599 0.714711 Be\n0.065599 0.934400 0.714711 Be\n0.000000 0.000000 0.000000 Be\n0.714710 0.285290 0.065600 Be\n0.934400 0.065599 0.285291 Be\n0.065599 0.285290 0.934401 Be\n0.785289 0.434400 0.214711 Be\n0.434400 0.785289 0.565601 Be\n0.434400 0.214710 0.785291 Be\n0.565599 0.785289 0.214711 Be\n0.785289 0.214710 0.565600 Be\n0.565599 0.434400 0.785291 Be\n0.285289 0.934400 0.065600 Be\n0.499999 0.500000 0.500001 Be\n0.934400 0.714710 0.065601 Be\n0.714709 0.934400 0.285291 Be\n",
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"elements": [
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"volume": 281.23735419813227,
"volume_molar": 6.0487533355397485,
"formula_full": "Sr2 Be26",
"formula_reduced": "SrBe13",
"formula_anonymous": "AB13",
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{
"id": "jvasp-14873",
"created_at": "2022-09-04T14:35:41.286057Z",
"updated_at": "2022-09-04T14:35:41.286079Z",
"structure_string": "Sr1 B6\n1.0\n4.191263 0.000000 -0.000000\n-0.000000 4.191263 0.000000\n-0.000000 0.000000 4.191263\nSr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.202845 0.500000 0.500000 B\n0.500000 0.500000 0.797154 B\n0.500000 0.500000 0.202845 B\n0.500000 0.202845 0.500000 B\n0.500000 0.797154 0.500000 B\n0.797154 0.500000 0.500000 B\n",
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"nelements": 2,
"elements": [
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"chemical_system": "B-Sr",
"density": 3.4390962389826307,
"density_atomic": 0.0950743356888372,
"volume": 73.62659911618903,
"volume_molar": 6.334139193682599,
"formula_full": "Sr1 B6",
"formula_reduced": "SrB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.21520883,
"spacegroup": 221
},
{
"id": "jvasp-94831",
"created_at": "2022-09-04T14:36:20.630811Z",
"updated_at": "2022-09-04T14:36:20.630836Z",
"structure_string": "Sr1 B6\n1.0\n4.191240 -0.000000 0.000000\n0.000000 4.191240 -0.000000\n0.000000 -0.000000 4.191240\nSr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.202844 0.500000 0.500000 B\n0.500000 0.500000 0.797156 B\n0.500000 0.202844 0.500000 B\n0.500000 0.500000 0.202844 B\n0.500000 0.797156 0.500000 B\n0.797156 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
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"chemical_system": "B-Sr",
"density": 3.439152856819524,
"density_atomic": 0.09507590089750154,
"volume": 73.6253870215386,
"volume_molar": 6.334034916474037,
"formula_full": "Sr1 B6",
"formula_reduced": "SrB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.21520883,
"spacegroup": 221
},
{
"id": "jvasp-57797",
"created_at": "2022-09-04T14:37:33.425679Z",
"updated_at": "2022-09-04T14:37:33.425691Z",
"structure_string": "Sr2 B8 O14\n1.0\n4.259757 0.000000 0.000000\n0.000000 4.449962 0.000000\n0.000000 0.000000 10.772780\nSr B O\n2 8 14\ndirect\n0.500593 0.288914 0.500000 Sr\n0.000593 0.711086 0.000000 Sr\n0.006390 0.321623 0.750974 B\n0.506390 0.678377 0.749026 B\n0.030320 0.826042 0.621511 B\n0.530320 0.173957 0.878489 B\n0.530320 0.173957 0.121511 B\n0.030320 0.826042 0.378489 B\n0.506390 0.678377 0.250974 B\n0.006390 0.321623 0.249026 B\n0.425142 0.273338 0.000000 O\n0.925142 0.726662 0.500000 O\n0.959102 0.143242 0.358840 O\n0.459101 0.856757 0.141160 O\n0.363392 0.367654 0.777498 O\n0.863392 0.632345 0.722502 O\n0.866930 0.225846 0.135650 O\n0.363392 0.367654 0.222502 O\n0.366930 0.774154 0.635650 O\n0.366930 0.774154 0.364350 O\n0.866930 0.225846 0.864350 O\n0.959102 0.143242 0.641160 O\n0.863392 0.632345 0.277498 O\n0.459101 0.856757 0.858840 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"B",
"O"
],
"chemical_system": "B-O-Sr",
"density": 3.949715439705762,
"density_atomic": 0.11752826452829114,
"volume": 204.2061975161964,
"volume_molar": 5.123993606278739,
"formula_full": "Sr2 B8 O14",
"formula_reduced": "SrB4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.244640095277778,
"spacegroup": 31
},
{
"id": "jvasp-114503",
"created_at": "2022-09-04T14:38:40.710014Z",
"updated_at": "2022-09-04T14:38:40.710033Z",
"structure_string": "Sr1 B2 O3\n1.0\n2.470141 -4.015490 0.000000\n2.470141 4.015490 0.000000\n0.000000 0.000000 4.186161\nSr B O\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Sr\n0.667954 0.332046 0.000000 B\n0.332046 0.667954 0.000000 B\n0.171293 0.828708 0.000000 O\n0.828708 0.171293 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
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"elements": [
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"B",
"O"
],
"chemical_system": "B-O-Sr",
"density": 3.1441732542266925,
"density_atomic": 0.07225119498954014,
"volume": 83.04360918692936,
"volume_molar": 8.335005062368628,
"formula_full": "Sr1 B2 O3",
"formula_reduced": "SrB2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.6375053294444446,
"spacegroup": 65
},
{
"id": "jvasp-36233",
"created_at": "2022-09-04T14:37:09.700494Z",
"updated_at": "2022-09-04T14:37:09.700520Z",
"structure_string": "Sr1 B2\n1.0\n3.293703 0.054748 0.000000\n-1.599438 2.879804 0.000000\n0.000000 0.000000 4.405819\nSr B\n1 2\ndirect\n0.000059 0.000059 0.000000 Sr\n0.656197 0.343843 0.500000 B\n0.343842 0.656197 0.500000 B\n",
"nsites": 3,
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"elements": [
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"B"
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"chemical_system": "B-Sr",
"density": 4.301042943790242,
"density_atomic": 0.07113057074548416,
"volume": 42.175958502209255,
"volume_molar": 8.466318626274097,
"formula_full": "Sr1 B2",
"formula_reduced": "SrB2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5003638255555565,
"spacegroup": 65
},
{
"id": "jvasp-106274",
"created_at": "2022-09-04T14:38:37.853182Z",
"updated_at": "2022-09-04T14:38:37.853209Z",
"structure_string": "Sr1 Au1 O3\n1.0\n4.099016 0.000000 -0.000000\n-0.000000 4.099016 -0.000000\n0.000000 0.000000 4.099016\nSr Au O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Au",
"O"
],
"chemical_system": "Au-O-Sr",
"density": 8.018859668647824,
"density_atomic": 0.0725990877771862,
"volume": 68.87138878859602,
"volume_molar": 8.295063952432223,
"formula_full": "Sr1 Au1 O3",
"formula_reduced": "SrAuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2641528759999998,
"spacegroup": 221
},
{
"id": "jvasp-62459",
"created_at": "2022-09-04T14:36:05.540581Z",
"updated_at": "2022-09-04T14:36:05.540615Z",
"structure_string": "Sr2 Au4 O8\n1.0\n-3.119701 3.119701 5.134970\n3.119701 -3.119701 5.134970\n3.119701 3.119701 -5.134970\nSr Au O\n2 4 8\ndirect\n0.125000 0.875000 0.750000 Sr\n0.875000 0.125000 0.250000 Sr\n0.500000 0.500000 0.000000 Au\n0.500000 -0.000000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.500000 0.000000 Au\n0.477931 0.293746 0.118623 O\n0.175122 0.859307 0.381376 O\n0.293746 0.175122 0.315815 O\n0.859307 0.477931 0.184185 O\n0.522069 0.706254 0.881376 O\n0.824878 0.140693 0.618623 O\n0.706254 0.824878 0.684185 O\n0.140692 0.522069 0.815814 O\n",
"nsites": 14,
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"elements": [
"Sr",
"Au",
"O"
],
"chemical_system": "Au-O-Sr",
"density": 9.06338428752877,
"density_atomic": 0.07003323524462506,
"volume": 199.90508722177702,
"volume_molar": 8.598975527782992,
"formula_full": "Sr2 Au4 O8",
"formula_reduced": "Sr(AuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4369807785714284,
"spacegroup": 88
},
{
"id": "jvasp-36837",
"created_at": "2022-09-04T14:38:01.448399Z",
"updated_at": "2022-09-04T14:38:01.448429Z",
"structure_string": "Sr2 Au2 O4\n1.0\n-1.941260 3.075204 0.000679\n-4.894768 -3.083929 -1.938394\n-0.001538 0.003204 6.101372\nSr Au O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Au\n0.499999 0.500001 0.500000 Au\n0.499999 0.293144 0.706857 O\n0.499999 0.706858 0.293144 O\n0.223554 0.248486 0.248486 O\n0.776444 0.751516 0.751515 O\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Au-O-Sr",
"density": 8.190769707965016,
"density_atomic": 0.062322486079456715,
"volume": 128.3645840090617,
"volume_molar": 9.662869918767685,
"formula_full": "Sr2 Au2 O4",
"formula_reduced": "SrAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7370052199999999,
"spacegroup": 12
},
{
"id": "jvasp-20208",
"created_at": "2022-09-04T14:37:32.110943Z",
"updated_at": "2022-09-04T14:37:32.110957Z",
"structure_string": "Sr1 Au5\n1.0\n2.843645 -4.925338 -0.000000\n2.843645 4.925338 -0.000000\n0.000000 -0.000000 4.653140\nSr Au\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.500001 0.500001 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.333334 0.666668 0.000000 Au\n",
"nsites": 6,
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"density": 13.662801873273148,
"density_atomic": 0.04603241054497454,
"volume": 130.3429459584326,
"volume_molar": 13.082392793912572,
"formula_full": "Sr1 Au5",
"formula_reduced": "SrAu5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.3065921183333333,
"spacegroup": 191
},
{
"id": "jvasp-20468",
"created_at": "2022-09-04T14:38:13.681008Z",
"updated_at": "2022-09-04T14:38:13.681038Z",
"structure_string": "Sr1 Au5\n1.0\n2.843645 -4.925338 0.000000\n2.843645 4.925338 0.000000\n0.000000 -0.000000 4.653140\nSr Au\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.500001 0.500001 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.333334 0.666668 0.000000 Au\n",
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"density": 13.662801873273148,
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"volume": 130.3429459584326,
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"formula_full": "Sr1 Au5",
"formula_reduced": "SrAu5",
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"energy_above_hull": 0.3065921183333333,
"spacegroup": 191
},
{
"id": "jvasp-14715",
"created_at": "2022-09-04T14:36:20.738657Z",
"updated_at": "2022-09-04T14:36:20.738691Z",
"structure_string": "Sr2 Au4\n1.0\n4.403806 -0.000000 1.881441\n1.994768 5.579732 1.425552\n0.000045 0.040523 6.094511\nSr Au\n2 4\ndirect\n0.533684 0.716317 0.216317 Sr\n0.466319 0.283682 0.783682 Sr\n0.164015 0.298167 0.373803 Au\n0.835988 0.701832 0.626195 Au\n0.164016 0.873803 0.798166 Au\n0.835987 0.126196 0.201832 Au\n",
"nsites": 6,
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"density": 10.686638309924923,
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"volume": 149.65188773165067,
"volume_molar": 15.020412215328625,
"formula_full": "Sr2 Au4",
"formula_reduced": "SrAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 74
}
]
}